5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde

C16H14N2O3 — CID 169334246

IUPAC5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2OCCn2cccn2)o1
InChIInChI=1S/C16H14N2O3/c19-12-13-6-7-16(21-13)14-4-1-2-5-15(14)20-11-10-18-9-3-8-17-18/h1-9,12H,10-11H2
InChIKeyVIWQEHAMFLEFTM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.03
Rot. Bonds6

About 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde

5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334246) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde
PubChem CID169334246
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2OCCn2cccn2)o1
InChIInChI=1S/C16H14N2O3/c19-12-13-6-7-16(21-13)14-4-1-2-5-15(14)20-11-10-18-9-3-8-17-18/h1-9,12H,10-11H2
InChIKeyVIWQEHAMFLEFTM-UHFFFAOYSA-N
XLogP3.03
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde (CID 169334246) is 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccccc2OCCn2cccn2)o1.
What is the InChIKey of 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is VIWQEHAMFLEFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-12-13-6-7-16(21-13)14-4-1-2-5-15(14)20-11-10-18-9-3-8-17-18/h1-9,12H,10-11H2.
What are the key properties of 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde?
5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 282.30 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).